%chk=000054458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054458

0 1
 Cl   3.842600      -3.563600     -0.5400000    
 N   -2.933700      0.6216000     -0.2195000    
 N    3.193400       2.135700      0.5680000    
 C   -2.248500       1.486100      -1.186300    
 C  -0.8915000       1.934700     -0.6208000    
 C   -2.165700     -0.6127000      1.0900000E-02
 C  -9.7800002E-02  0.7910000     -3.0600000E-02
 C   -4.291500      0.3102000     -0.6610000    
 C  -0.6969000     -0.3826000      0.2398000    
 C    1.307100       1.045600      0.1592000    
 C   -5.028400     -0.4891000      0.4124000    
 C    2.380000      0.1179000      7.3899999E-02
 C   -6.459800     -0.8075000     -2.0800000E-02
 C    1.835600       2.276800      0.4642000    
 C    3.554100      0.8278000      0.3346000    
 C    2.468200      -1.261200     -0.2007000    
 C   -7.188700      -1.633300       1.027100    
 C    4.817000      0.2249000      0.3344000    
 C    3.724800      -1.877800     -0.2043000    
 C    4.879800      -1.144300      5.9500001E-02
 H   -2.845100       2.384000      -1.389300    
 H   -2.105800      0.9675000      -2.144100    
 H   -1.061700       2.690800      0.1572000    
 H  -0.3339000       2.416000      -1.434400    
 H   -2.272300      -1.316400     -0.8248000    
 H   -2.525700      -1.105900      0.9201000    
 H   -4.284100     -0.2435000      -1.609000    
 H   -4.842600       1.242800     -0.8355000    
 H  -0.1563000      -1.215700      0.6746000    
 H   -5.044600      7.0900001E-02   1.355800    
 H   -4.537200      -1.448200      0.6070000    
 H   -6.449500      -1.359300     -0.9681000    
 H   -7.012000      0.1236000     -0.1935000    
 H    1.380600       3.245100      0.6229000    
 H    3.838300       2.882800      0.7855000    
 H    1.587300      -1.849600     -0.4364000    
 H   -8.211200      -1.844700      0.6987000    
 H   -6.682500      -2.589000       1.196500    
 H   -7.241900      -1.098500       1.980700    
 H    5.716700      0.7953000      0.5396000    
 H    5.853400      -1.629800      5.5000000E-02


%chk=000054458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054458

0 1
Cl 4.110899 -3.657054 -0.323879
N -2.948367 0.507335 -0.239607
N 3.300773 2.211671 0.437962
C -2.292323 1.504386 -1.117019
C -0.956123 1.962377 -0.504908
C -2.133576 -0.722810 -0.119357
C -0.071698 0.773151 -0.135922
C -4.347924 0.229316 -0.640990
C -0.652479 -0.453954 0.023071
C 1.366328 1.029214 0.056394
C -5.134423 -0.596937 0.397872
C 2.497864 0.100260 0.074664
C -6.636168 -0.700253 0.045458
C 1.916150 2.303026 0.270489
C 3.690328 0.873448 0.321343
C 2.634040 -1.300160 -0.131245
C -7.427267 -1.562446 1.052777
C 4.976467 0.297341 0.393942
C 3.919620 -1.854245 -0.058130
C 5.088556 -1.094486 0.206420
H -2.972789 2.369519 -1.226442
H -2.105165 1.095661 -2.144729
H -1.162786 2.570375 0.398927
H -0.429595 2.615270 -1.229192
H -2.293425 -1.402595 -1.004139
H -2.476612 -1.294248 0.765433
H -4.393508 -0.296136 -1.633848
H -4.855513 1.205782 -0.771019
H -0.053488 -1.321257 0.321032
H -5.011427 -0.122294 1.391418
H -4.716483 -1.620504 0.475514
H -6.747291 -1.126335 -0.973061
H -7.073152 0.318611 0.006448
H 1.410002 3.263945 0.336215
H 3.925183 2.994571 0.616292
H 1.778567 -1.936503 -0.364600
H -8.499372 -1.613906 0.787848
H -7.036071 -2.597043 1.081395
H -7.350347 -1.147281 2.075318
H 5.869541 0.901687 0.585352
H 6.063052 -1.588100 0.255002


